1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol

C16H28N2O2 — CID 115995040

IUPAC1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol
SMILESCCNC(CC)c1ccccc1N(C)CC(O)COC
InChIInChI=1S/C16H28N2O2/c1-5-15(17-6-2)14-9-7-8-10-16(14)18(3)11-13(19)12-20-4/h7-10,13,15,17,19H,5-6,11-12H2,1-4H3
InChIKeyTVCMCXPWZWDFBC-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.19
Rot. Bonds9

About 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol

1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol (PubChem CID 115995040) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol
PubChem CID115995040
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol
SMILESCCNC(CC)c1ccccc1N(C)CC(O)COC
InChIInChI=1S/C16H28N2O2/c1-5-15(17-6-2)14-9-7-8-10-16(14)18(3)11-13(19)12-20-4/h7-10,13,15,17,19H,5-6,11-12H2,1-4H3
InChIKeyTVCMCXPWZWDFBC-UHFFFAOYSA-N
XLogP2.19
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-(ethylamino)ethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 54994046
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
2-[1-(ethylamino)propyl]-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 115995016
1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol
CID 54994011
2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline
CID 115995117
2-[1-(ethylamino)propyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 115994861
2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline
CID 115994953
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
CID 115995247
1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 113392602
1-[3-(ethylamino)-N-methyl-2-nitroanilino]-3-methoxypropan-2-ol
CID 80810177
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol (CID 115995040) is 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol is CCNC(CC)c1ccccc1N(C)CC(O)COC.
What is the InChIKey of 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol?
The InChIKey is TVCMCXPWZWDFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-15(17-6-2)14-9-7-8-10-16(14)18(3)11-13(19)12-20-4/h7-10,13,15,17,19H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol?
1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol is sourced from PubChem (CID 115995040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).